smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@@H]([NH2+][C@H](C)c1ccc(SC)cc1)c1ccco1 ZINC000096478943 230380077 /nfs/dbraw/zinc/38/00/77/230380077.db2.gz NWBMATQNYHJGNA-IUODEOHRSA-N 1 1 291.416 4.040 50 0 CIAAMO CCn1c2ccccc2[nH+]c1Nc1ccc(C)cc1 ZINC000000513587 230366284 /nfs/dbraw/zinc/36/62/84/230366284.db2.gz OGDCEYUKOLVDBT-UHFFFAOYSA-N 1 1 251.333 4.108 50 0 CIAAMO CC[C@@H]1C[N@H+]2CCSc3c4ccccc4[nH]c3[C@@]2(C)C1 ZINC000004064933 529409052 /nfs/dbraw/zinc/40/90/52/529409052.db2.gz OUBVLROWASLLMT-YVEFUNNKSA-N 1 1 286.444 4.221 50 0 CIAAMO c1cnn(-c2ccc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)cc2)c1 ZINC000105876482 186082347 /nfs/dbraw/zinc/08/23/47/186082347.db2.gz LSWMOTYWUFMXAB-IEBWSBKVSA-N 1 1 295.430 4.027 50 0 CIAAMO CC[C@H]1CCC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000106862120 186142429 /nfs/dbraw/zinc/14/24/29/186142429.db2.gz WTUFKUGXDYGWLD-NEPJUHHUSA-N 1 1 253.336 4.148 50 0 CIAAMO CCc1ccccc1OCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000002822093 169834596 /nfs/dbraw/zinc/83/45/96/169834596.db2.gz QQCIZGSXDSMYOW-MRXNPFEDSA-N 1 1 275.436 4.140 50 0 CIAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)cc1C ZINC000004982714 170048690 /nfs/dbraw/zinc/04/86/90/170048690.db2.gz YUCKKKDGPHKCED-GOSISDBHSA-N 1 1 296.414 4.126 50 0 CIAAMO CCOc1ccccc1C[NH2+]Cc1ccccc1Cl ZINC000005907046 170153187 /nfs/dbraw/zinc/15/31/87/170153187.db2.gz NITWWHJPLABFIV-UHFFFAOYSA-N 1 1 275.779 4.029 50 0 CIAAMO C[C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000006652594 170222395 /nfs/dbraw/zinc/22/23/95/170222395.db2.gz TWDYWTJMXWKMEO-AWEZNQCLSA-N 1 1 263.384 4.488 50 0 CIAAMO CCCC[N@@H+](C)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717406 170349466 /nfs/dbraw/zinc/34/94/66/170349466.db2.gz INIMHMBOUYXKSH-UHFFFAOYSA-N 1 1 286.419 4.098 50 0 CIAAMO Cc1cccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)c1 ZINC000021720174 171320300 /nfs/dbraw/zinc/32/03/00/171320300.db2.gz PAFGFUMQEQKIOV-KRWDZBQOSA-N 1 1 284.403 4.444 50 0 CIAAMO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)c1 ZINC000021720174 171320301 /nfs/dbraw/zinc/32/03/01/171320301.db2.gz PAFGFUMQEQKIOV-KRWDZBQOSA-N 1 1 284.403 4.444 50 0 CIAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1cc(C)ccc1C ZINC000021720749 171321088 /nfs/dbraw/zinc/32/10/88/171321088.db2.gz HQIOXFPHTXNHAD-QGZVFWFLSA-N 1 1 298.430 4.499 50 0 CIAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1cccc(C)c1 ZINC000021720844 171321105 /nfs/dbraw/zinc/32/11/05/171321105.db2.gz RYSKJUXEPKOFKF-MRXNPFEDSA-N 1 1 284.403 4.191 50 0 CIAAMO Clc1ccccc1-c1ccc(C[NH2+]Cc2ccccn2)o1 ZINC000040721938 174385286 /nfs/dbraw/zinc/38/52/86/174385286.db2.gz NJHZXLKSPPOHIO-UHFFFAOYSA-N 1 1 298.773 4.285 50 0 CIAAMO C[C@@H]1C(=O)C[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000054957095 175565551 /nfs/dbraw/zinc/56/55/51/175565551.db2.gz DZCQBSKDIIAQHT-DKSSEZFCSA-N 1 1 279.383 4.010 50 0 aggregator CIAAMO C[C@@H]1C(=O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000054957095 175565552 /nfs/dbraw/zinc/56/55/52/175565552.db2.gz DZCQBSKDIIAQHT-DKSSEZFCSA-N 1 1 279.383 4.010 50 0 aggregator CIAAMO c1cc2cc(C[N@H+]3CCC[C@@H]3c3ccccn3)ccc2o1 ZINC000072128451 176321363 /nfs/dbraw/zinc/32/13/63/176321363.db2.gz PXYLDTDJPBEAGX-QGZVFWFLSA-N 1 1 278.355 4.165 50 0 CIAAMO CC(C)c1nc(C[N@@H+]2CCC[C@H]2c2ccccc2)co1 ZINC000243956784 328042287 /nfs/dbraw/zinc/04/22/87/328042287.db2.gz CDVRHGCFCBPRIB-INIZCTEOSA-N 1 1 270.376 4.135 50 0 CIAAMO CC(C)c1nc(C[N@H+]2CCC[C@H]2c2ccccc2)co1 ZINC000243956784 328042288 /nfs/dbraw/zinc/04/22/88/328042288.db2.gz CDVRHGCFCBPRIB-INIZCTEOSA-N 1 1 270.376 4.135 50 0 CIAAMO Cc1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1Cl ZINC000041597770 329521964 /nfs/dbraw/zinc/52/19/64/329521964.db2.gz JJMJAMHSXXMOOV-UHFFFAOYSA-N 1 1 257.724 4.268 50 0 CIAAMO Cc1noc(C)c1C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162359 566833739 /nfs/dbraw/zinc/83/37/39/566833739.db2.gz MXHOSIPUALYSTM-LLVKDONJSA-N 1 1 278.783 4.138 50 0 CIAAMO CC1=CC=CC(c2nc3ccc(F)cc3n2C(C)C)C1=[NH2+] ZINC000052124956 566835269 /nfs/dbraw/zinc/83/52/69/566835269.db2.gz RVJMGNYNVOBIAR-PRYCOQAESA-N 1 1 283.350 4.213 50 0 CIAAMO Clc1ccc(/C=C/c2[nH+]cc3ccccn23)cc1 ZINC000004032315 566855088 /nfs/dbraw/zinc/85/50/88/566855088.db2.gz COQXSRCZXFNFBG-RMKNXTFCSA-N 1 1 254.720 4.158 50 0 CIAAMO CCCC[C@H](CC)C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004027819 566856626 /nfs/dbraw/zinc/85/66/26/566856626.db2.gz SRIUOGOZNQFXLD-YESZJQIVSA-N 1 1 295.467 4.011 50 0 CIAAMO C[N@H+]1CCC[C@H]1/C=C/COc1ccc(Cl)c(Cl)c1 ZINC000004108553 566860801 /nfs/dbraw/zinc/86/08/01/566860801.db2.gz HBVXCBLOJOADGW-TZNOJPMFSA-N 1 1 286.202 4.023 50 0 CIAAMO C[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC(C)(C)O1 ZINC000084705757 566885877 /nfs/dbraw/zinc/88/58/77/566885877.db2.gz KGFHSXKAIAZNKM-AWEZNQCLSA-N 1 1 293.410 4.256 50 0 CIAAMO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)cc1 ZINC000015837403 566921306 /nfs/dbraw/zinc/92/13/06/566921306.db2.gz SOJIUJXJZSRRFE-KRWDZBQOSA-N 1 1 291.316 4.441 50 0 CIAAMO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2F)cc1 ZINC000015837403 566921309 /nfs/dbraw/zinc/92/13/09/566921309.db2.gz SOJIUJXJZSRRFE-KRWDZBQOSA-N 1 1 291.316 4.441 50 0 CIAAMO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)c1 ZINC000015837173 566921413 /nfs/dbraw/zinc/92/14/13/566921413.db2.gz YEHUWGBCOXKNMW-KRWDZBQOSA-N 1 1 291.316 4.441 50 0 CIAAMO Fc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2F)c1 ZINC000015837173 566921419 /nfs/dbraw/zinc/92/14/19/566921419.db2.gz YEHUWGBCOXKNMW-KRWDZBQOSA-N 1 1 291.316 4.441 50 0 CIAAMO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000015837195 566921550 /nfs/dbraw/zinc/92/15/50/566921550.db2.gz FEFHTVKZUIMWBR-GOSISDBHSA-N 1 1 269.363 4.471 50 0 CIAAMO CCc1cnc([C@H](C)[NH2+][C@@H]2CCCc3occc32)s1 ZINC000123800225 566960659 /nfs/dbraw/zinc/96/06/59/566960659.db2.gz CFUVCVIZATVGAO-GXFFZTMASA-N 1 1 276.405 4.027 50 0 CIAAMO Cc1[nH+]ccn1CCCS[C@@H](C)c1ccccc1F ZINC000089735698 567025495 /nfs/dbraw/zinc/02/54/95/567025495.db2.gz DIZCZTWDFHGLQH-LBPRGKRZSA-N 1 1 278.396 4.215 50 0 CIAAMO Cc1[nH+]ccn1C[C@@H](C)CSc1ccc2ccccc2n1 ZINC000089735546 567025764 /nfs/dbraw/zinc/02/57/64/567025764.db2.gz WMJVKCGMXGTZTP-CYBMUJFWSA-N 1 1 297.427 4.168 50 0 CIAAMO C[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)[C@H]2CCCC[C@H]12 ZINC000089929914 567030230 /nfs/dbraw/zinc/03/02/30/567030230.db2.gz HWVBEEZYQVDRBW-FMKPAKJESA-N 1 1 284.403 4.228 50 0 CIAAMO CCc1cc(OCCC[N@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000002825299 567037553 /nfs/dbraw/zinc/03/75/53/567037553.db2.gz FLHHXWHCJGRIJL-AWEZNQCLSA-N 1 1 295.854 4.403 50 0 CIAAMO CCSCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000079110808 567122580 /nfs/dbraw/zinc/12/25/80/567122580.db2.gz DJOFLBFYBOZVCW-AWEZNQCLSA-N 1 1 290.432 4.108 50 0 CIAAMO CCCC[N@@H+](Cc1csc(CC)n1)[C@H](C)CC ZINC000095349904 567129104 /nfs/dbraw/zinc/12/91/04/567129104.db2.gz JTKXOQFHSQDTCS-GFCCVEGCSA-N 1 1 254.443 4.106 50 0 CIAAMO Cc1cccc([C@H]2CCCC[N@H+]2C2CCOCC2)c1C ZINC000095457126 567134304 /nfs/dbraw/zinc/13/43/04/567134304.db2.gz VOFNPIGJHFXMGT-GOSISDBHSA-N 1 1 273.420 4.009 50 0 CIAAMO Cn1c2ccccc2[nH+]c1Nc1cccc(C(F)(F)F)c1 ZINC000000352068 567826158 /nfs/dbraw/zinc/82/61/58/567826158.db2.gz JBZXAOABVNKBHO-UHFFFAOYSA-N 1 1 291.276 4.336 50 0 CIAAMO Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000000758838 567834609 /nfs/dbraw/zinc/83/46/09/567834609.db2.gz PEYWHCUXTCZSNH-LJQANCHMSA-N 1 1 280.415 4.426 50 0 CIAAMO CCC[N@@H+](CC)C[C@@H]1COC2(CCC(C(C)(C)C)CC2)O1 ZINC000000967718 567835545 /nfs/dbraw/zinc/83/55/45/567835545.db2.gz PUYXTUJWRLOUCW-UPTPFMHGSA-N 1 1 297.483 4.066 50 0 in-vitro CIAAMO CCCC[N@@H+](Cc1ccccc1)Cc1ccccc1OC ZINC000002893918 567850125 /nfs/dbraw/zinc/85/01/25/567850125.db2.gz ZRNUNXUUMRPASM-UHFFFAOYSA-N 1 1 283.415 4.498 50 0 CIAAMO CC(C)(C)[C@@H]1C[N@H+](C(C)(C)C)C[C@@](O)(c2ccccc2)C1 ZINC000004030951 567855173 /nfs/dbraw/zinc/85/51/73/567855173.db2.gz JXFJOPCGNKFADS-QFBILLFUSA-N 1 1 289.463 4.041 50 0 CIAAMO CCCN1CCC([NH2+]C/C=C(\C)CCC=C(C)C)CC1 ZINC000032582042 567863556 /nfs/dbraw/zinc/86/35/56/567863556.db2.gz WWUIFXOEOGMQKZ-RQZCQDPDSA-N 1 1 278.484 4.143 50 0 CIAAMO C[C@H]([NH2+]Cc1cccnc1Cl)c1ccccc1Cl ZINC000069847619 567880700 /nfs/dbraw/zinc/88/07/00/567880700.db2.gz JHDPSWACHNOEFV-JTQLQIEISA-N 1 1 281.186 4.239 50 0 CIAAMO Cc1nn(C)cc1C[N@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000033087098 567886373 /nfs/dbraw/zinc/88/63/73/567886373.db2.gz CNSHYGLPJOADDN-IBGZPJMESA-N 1 1 297.446 4.154 50 0 CIAAMO CCC[N@@H+](C/C=C/c1ccco1)Cc1ccccc1OC ZINC000055225556 567894252 /nfs/dbraw/zinc/89/42/52/567894252.db2.gz UWJRQYWNGSNCLD-RMKNXTFCSA-N 1 1 285.387 4.214 50 0 CIAAMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000058225038 567895820 /nfs/dbraw/zinc/89/58/20/567895820.db2.gz SZBXZILVAAYIGM-HNNXBMFYSA-N 1 1 276.383 4.428 50 0 CIAAMO C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000065374683 567898560 /nfs/dbraw/zinc/89/85/60/567898560.db2.gz BOPSLODZJGVTLF-MDJJKAFGSA-N 1 1 266.388 4.178 50 0 CIAAMO Cc1ccsc1-c1nc(C[N@@H+]2CCC[C@@H]2C)c(C)o1 ZINC000067921841 567901254 /nfs/dbraw/zinc/90/12/54/567901254.db2.gz SJBNWLVDKYJVHY-NSHDSACASA-N 1 1 276.405 4.004 50 0 CIAAMO c1ccc2c(c1)ccc1c2C[C@@H]2CCC[N@@H+]3CCCC[C@]23O1 ZINC000101363703 567914817 /nfs/dbraw/zinc/91/48/17/567914817.db2.gz VGBXEBSZYKEKGJ-JXFKEZNVSA-N 1 1 293.410 4.367 50 0 CIAAMO c1ccc2c(c1)ccc1c2C[C@@H]2CCC[N@H+]3CCCC[C@]23O1 ZINC000101363703 567914818 /nfs/dbraw/zinc/91/48/18/567914818.db2.gz VGBXEBSZYKEKGJ-JXFKEZNVSA-N 1 1 293.410 4.367 50 0 CIAAMO Cc1ncc(C[N@@H+]2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)s1 ZINC000095455779 567915277 /nfs/dbraw/zinc/91/52/77/567915277.db2.gz FQPFZENFXVNETH-QWRGUYRKSA-N 1 1 290.407 4.098 50 0 CIAAMO Cc1ncc(C[N@H+]2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)s1 ZINC000095455779 567915279 /nfs/dbraw/zinc/91/52/79/567915279.db2.gz FQPFZENFXVNETH-QWRGUYRKSA-N 1 1 290.407 4.098 50 0 CIAAMO C[C@@H](C[N@@H+]1Cc2ccccc2O[C@@H](C)C1)c1ccccc1 ZINC000104398080 567916951 /nfs/dbraw/zinc/91/69/51/567916951.db2.gz OCQBWRNBWRFFLA-HOTGVXAUSA-N 1 1 281.399 4.073 50 0 CIAAMO CC(C)(C)Nc1c(-c2ccccc2F)[nH+]c2ccccn21 ZINC000000320120 567926740 /nfs/dbraw/zinc/92/67/40/567926740.db2.gz MKRJCZWYWNAQHN-UHFFFAOYSA-N 1 1 283.350 4.351 50 0 CIAAMO CC(C)[C@@H](CC[N@@H+](C)[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000248268343 567928902 /nfs/dbraw/zinc/92/89/02/567928902.db2.gz PDBCXBRKTNIGCU-JKSUJKDBSA-N 1 1 293.451 4.299 50 0 CIAAMO c1csc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)c1 ZINC000137547651 567930596 /nfs/dbraw/zinc/93/05/96/567930596.db2.gz DWBCWVSMYZZRSW-CYBMUJFWSA-N 1 1 284.384 4.226 50 0 CIAAMO CC(C)c1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000011880643 570220681 /nfs/dbraw/zinc/22/06/81/570220681.db2.gz AXTVOJQPJPOJAS-JKSUJKDBSA-N 1 1 287.451 4.069 50 0 CIAAMO CC(C)c1c[nH]nc1[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000011880644 570220603 /nfs/dbraw/zinc/22/06/03/570220603.db2.gz AXTVOJQPJPOJAS-HOTGVXAUSA-N 1 1 287.451 4.069 50 0 CIAAMO C/C=C(\C)C[N@H+]1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000011843626 570220793 /nfs/dbraw/zinc/22/07/93/570220793.db2.gz NURFJMHCZMPDQO-TVBJEHIUSA-N 1 1 291.822 4.201 50 0 CIAAMO CC(C)CC[C@@H](c1ccccc1)[N@H+](C)Cc1nccn1C ZINC000055036425 570240279 /nfs/dbraw/zinc/24/02/79/570240279.db2.gz FFUNADXGIAHACW-KRWDZBQOSA-N 1 1 285.435 4.029 50 0 CIAAMO CC(C)CC[C@@H](c1ccccc1)[N@@H+](C)Cc1nccn1C ZINC000055036425 570240281 /nfs/dbraw/zinc/24/02/81/570240281.db2.gz FFUNADXGIAHACW-KRWDZBQOSA-N 1 1 285.435 4.029 50 0 CIAAMO Cc1ccsc1C[N@@H+](Cc1cccnc1)CC(C)C ZINC000055132230 570241244 /nfs/dbraw/zinc/24/12/44/570241244.db2.gz SIDJTZBJFKCNGA-UHFFFAOYSA-N 1 1 274.433 4.110 50 0 CIAAMO CCc1ccc(C[N@@H+](Cc2ccco2)[C@@H](C)C(C)C)nc1 ZINC000055152933 570241249 /nfs/dbraw/zinc/24/12/49/570241249.db2.gz FVERRLXRYDMWFB-HNNXBMFYSA-N 1 1 286.419 4.284 50 0 CIAAMO CCC[N@@H+](Cc1ccc(SC)cc1)Cc1cccnc1 ZINC000055371573 570242967 /nfs/dbraw/zinc/24/29/67/570242967.db2.gz WRJJGXMSHYPXDL-UHFFFAOYSA-N 1 1 286.444 4.216 50 0 CIAAMO CC1=CC=CC(c2nc3cc(F)ccc3n2C(C)C)C1=[NH2+] ZINC000102540841 570284758 /nfs/dbraw/zinc/28/47/58/570284758.db2.gz VAWSIBNIAHONSO-KNQBNYQZSA-N 1 1 283.350 4.213 50 0 CIAAMO c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)cc2)c1 ZINC000048264433 570296520 /nfs/dbraw/zinc/29/65/20/570296520.db2.gz LSWMOTYWUFMXAB-HKUYNNGSSA-N 1 1 295.430 4.027 50 0 CIAAMO C[N@H+]1CCCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000075567378 570355923 /nfs/dbraw/zinc/35/59/23/570355923.db2.gz QDPXEFWRKNYRFL-UHFFFAOYSA-N 1 1 290.410 4.068 50 0 CIAAMO C[C@H]1N(C)c2ccc(C=[NH+]Nc3ccccc3)cc2C1(C)C ZINC000252624062 570357880 /nfs/dbraw/zinc/35/78/80/570357880.db2.gz PFIPYLIZRFOHTK-CQSZACIVSA-N 1 1 293.414 4.249 50 0 CIAAMO c1ccc(SCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000002191176 570375156 /nfs/dbraw/zinc/37/51/56/570375156.db2.gz MDMGQQHMPOPIQV-UHFFFAOYSA-N 1 1 283.440 4.227 50 0 CIAAMO CC(C)c1noc([C@@H](C)[NH2+][C@@H](c2ccccc2)C2CCC2)n1 ZINC000069817581 570402497 /nfs/dbraw/zinc/40/24/97/570402497.db2.gz OBIUKPGQNQTCDD-CJNGLKHVSA-N 1 1 299.418 4.385 50 0 CIAAMO CC(C)c1noc([C@H](C)[NH2+][C@@H](c2ccccc2)C2CCC2)n1 ZINC000069817582 570402876 /nfs/dbraw/zinc/40/28/76/570402876.db2.gz OBIUKPGQNQTCDD-BBRMVZONSA-N 1 1 299.418 4.385 50 0 CIAAMO CCn1c2ccccc2[nH+]c1Nc1cccc(C)c1 ZINC000000513580 230366384 /nfs/dbraw/zinc/36/63/84/230366384.db2.gz TZTQSKPJNWAESK-UHFFFAOYSA-N 1 1 251.333 4.108 50 0 CIAAMO FC(F)(F)c1cccc(Nc2[nH]c3ccccc3[nH+]2)c1 ZINC000000513167 230366432 /nfs/dbraw/zinc/36/64/32/230366432.db2.gz OZSXMCLVXAYZLJ-UHFFFAOYSA-N 1 1 277.249 4.325 50 0 CIAAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000095955080 185041609 /nfs/dbraw/zinc/04/16/09/185041609.db2.gz DFNXLZMWDLHDNP-GFCCVEGCSA-N 1 1 294.320 4.293 50 0 CIAAMO c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)cc2)c1 ZINC000105876479 186082415 /nfs/dbraw/zinc/08/24/15/186082415.db2.gz LSWMOTYWUFMXAB-PKOBYXMFSA-N 1 1 295.430 4.027 50 0 CIAAMO Cc1ccc(C(C)(C)C)c(OCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000004905968 170038832 /nfs/dbraw/zinc/03/88/32/170038832.db2.gz PICXSYRGOPRWNV-MRXNPFEDSA-N 1 1 289.463 4.403 50 0 CIAAMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1C ZINC000004982715 170048719 /nfs/dbraw/zinc/04/87/19/170048719.db2.gz YUCKKKDGPHKCED-SFHVURJKSA-N 1 1 296.414 4.126 50 0 CIAAMO CCCC[N@@H+](C)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008714060 170348510 /nfs/dbraw/zinc/34/85/10/170348510.db2.gz CRDGDOHXBSZNAL-UHFFFAOYSA-N 1 1 286.419 4.098 50 0 CIAAMO CCc1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008714146 170348659 /nfs/dbraw/zinc/34/86/59/170348659.db2.gz FYLWPXQLUDPAKD-ZDUSSCGKSA-N 1 1 298.430 4.186 50 0 CIAAMO CCOc1ccccc1C[N@@H+](CC)Cc1ccccc1 ZINC000009553850 170381387 /nfs/dbraw/zinc/38/13/87/170381387.db2.gz RXBRFIGUMRNGSG-UHFFFAOYSA-N 1 1 269.388 4.107 50 0 CIAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1F ZINC000021720908 171320449 /nfs/dbraw/zinc/32/04/49/171320449.db2.gz FKWWIBFCGZYWFU-HNNXBMFYSA-N 1 1 288.366 4.022 50 0 CIAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1 ZINC000021720964 171320464 /nfs/dbraw/zinc/32/04/64/171320464.db2.gz TURGROVMARVTHV-INIZCTEOSA-N 1 1 284.403 4.191 50 0 CIAAMO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2sccc2C)no1 ZINC000021720409 171320644 /nfs/dbraw/zinc/32/06/44/171320644.db2.gz KCFWKJSBMJNKHC-HNNXBMFYSA-N 1 1 290.432 4.334 50 0 CIAAMO CCCc1cc([C@@H]2CCC[N@H+]2Cc2sccc2C)no1 ZINC000021720409 171320645 /nfs/dbraw/zinc/32/06/45/171320645.db2.gz KCFWKJSBMJNKHC-HNNXBMFYSA-N 1 1 290.432 4.334 50 0 CIAAMO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c1 ZINC000021720175 171320838 /nfs/dbraw/zinc/32/08/38/171320838.db2.gz PAFGFUMQEQKIOV-QGZVFWFLSA-N 1 1 284.403 4.444 50 0 CIAAMO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c1 ZINC000021720175 171320840 /nfs/dbraw/zinc/32/08/40/171320840.db2.gz PAFGFUMQEQKIOV-QGZVFWFLSA-N 1 1 284.403 4.444 50 0 CIAAMO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)no1 ZINC000021720715 171321099 /nfs/dbraw/zinc/32/10/99/171321099.db2.gz XYAVBJJFESAAAI-INIZCTEOSA-N 1 1 270.376 4.135 50 0 CIAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2ccccc2)no1 ZINC000021720715 171321100 /nfs/dbraw/zinc/32/11/00/171321100.db2.gz XYAVBJJFESAAAI-INIZCTEOSA-N 1 1 270.376 4.135 50 0 CIAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000021720668 171321124 /nfs/dbraw/zinc/32/11/24/171321124.db2.gz OZDYNBICFWUMGT-HNNXBMFYSA-N 1 1 290.794 4.282 50 0 CIAAMO CC[C@@H](C)Cn1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000021783115 171322499 /nfs/dbraw/zinc/32/24/99/171322499.db2.gz ZZZHADCLDKLHPR-OAHLLOKOSA-N 1 1 285.435 4.068 50 0 CIAAMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cccc2cccnc21 ZINC000022516264 171389623 /nfs/dbraw/zinc/38/96/23/171389623.db2.gz BNFSBQJGXQUPGG-CYBMUJFWSA-N 1 1 294.423 4.416 50 0 CIAAMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cccc2cccnc21 ZINC000022516260 171389943 /nfs/dbraw/zinc/38/99/43/171389943.db2.gz BNFSBQJGXQUPGG-ZDUSSCGKSA-N 1 1 294.423 4.416 50 0 CIAAMO CC(C)CC[N@H+]1CCCn2cccc2[C@@H]1c1ccccc1 ZINC000037522636 173250743 /nfs/dbraw/zinc/25/07/43/173250743.db2.gz REWMOKVQQSITEN-IBGZPJMESA-N 1 1 282.431 4.329 50 0 CIAAMO C[C@H]([NH2+]Cc1cscn1)c1cccc2ccccc21 ZINC000040420865 174257337 /nfs/dbraw/zinc/25/73/37/174257337.db2.gz DTJPTFGGLWZFQG-LBPRGKRZSA-N 1 1 268.385 4.147 50 0 CIAAMO Cc1noc(C)c1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076805043 177099816 /nfs/dbraw/zinc/09/98/16/177099816.db2.gz WJQOCYIIXHPLSH-OAHLLOKOSA-N 1 1 274.364 4.002 50 0 CIAAMO Cc1noc(C)c1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000076805048 177100000 /nfs/dbraw/zinc/10/00/00/177100000.db2.gz WJQOCYIIXHPLSH-HNNXBMFYSA-N 1 1 274.364 4.002 50 0 CIAAMO C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000012206373 518372535 /nfs/dbraw/zinc/37/25/35/518372535.db2.gz ABRZVFVJDZJSCD-WUTDNEBXSA-N 1 1 292.426 4.276 50 0 CIAAMO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)s1 ZINC000097017247 534622464 /nfs/dbraw/zinc/62/24/64/534622464.db2.gz MONGOAKTVKBIOR-QMTHXVAHSA-N 1 1 292.835 4.443 50 0 CIAAMO CC1=CC[C@@H]2[C@@H](C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]23)C1 ZINC000004027357 566855533 /nfs/dbraw/zinc/85/55/33/566855533.db2.gz GOVTWXUTTQVUJX-LPMFXHHGSA-N 1 1 278.399 4.053 50 0 CIAAMO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2)cc1 ZINC000015837450 566921216 /nfs/dbraw/zinc/92/12/16/566921216.db2.gz QVIYMBXERDNECJ-QGZVFWFLSA-N 1 1 291.316 4.441 50 0 CIAAMO Fc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2)cc1 ZINC000015837450 566921219 /nfs/dbraw/zinc/92/12/19/566921219.db2.gz QVIYMBXERDNECJ-QGZVFWFLSA-N 1 1 291.316 4.441 50 0 CIAAMO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2)cc1 ZINC000015837447 566921718 /nfs/dbraw/zinc/92/17/18/566921718.db2.gz QVIYMBXERDNECJ-KRWDZBQOSA-N 1 1 291.316 4.441 50 0 CIAAMO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2)cc1 ZINC000015837447 566921724 /nfs/dbraw/zinc/92/17/24/566921724.db2.gz QVIYMBXERDNECJ-KRWDZBQOSA-N 1 1 291.316 4.441 50 0 CIAAMO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)cc1 ZINC000015837405 566921842 /nfs/dbraw/zinc/92/18/42/566921842.db2.gz SOJIUJXJZSRRFE-QGZVFWFLSA-N 1 1 291.316 4.441 50 0 CIAAMO Fc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2F)cc1 ZINC000015837405 566921849 /nfs/dbraw/zinc/92/18/49/566921849.db2.gz SOJIUJXJZSRRFE-QGZVFWFLSA-N 1 1 291.316 4.441 50 0 CIAAMO c1ccc2c(c1)[nH]c1c2CCC[N@H+]2C[C@@H]3CC=CC[C@H]3[C@H]12 ZINC000247440947 566960213 /nfs/dbraw/zinc/96/02/13/566960213.db2.gz XGOIUNFXMAIFSF-IQUTYRLHSA-N 1 1 278.399 4.053 50 0 CIAAMO Cc1cccc([C@@H]2CCCC[N@H+]2C2CCOCC2)c1C ZINC000095457125 567132979 /nfs/dbraw/zinc/13/29/79/567132979.db2.gz VOFNPIGJHFXMGT-SFHVURJKSA-N 1 1 273.420 4.009 50 0 CIAAMO CCC[C@@H](C)c1c(-c2ccccc2)ncn1Cc1[nH]cc[nH+]1 ZINC000067458143 567196881 /nfs/dbraw/zinc/19/68/81/567196881.db2.gz CVVHQIQRCHAKLG-CQSZACIVSA-N 1 1 294.402 4.225 50 0 CIAAMO CC(C)(C)n1c[nH+]c2cc(NCc3cccs3)ccc21 ZINC000000249592 567822800 /nfs/dbraw/zinc/82/28/00/567822800.db2.gz GZSJXRCQVHNQRL-UHFFFAOYSA-N 1 1 285.416 4.465 50 0 CIAAMO Cc1cn2c3ccccc3n(Cc3ccccc3Cl)c2[nH+]1 ZINC000000506388 567833094 /nfs/dbraw/zinc/83/30/94/567833094.db2.gz UUAZVEGNXMCWAU-UHFFFAOYSA-N 1 1 295.773 4.299 50 0 CIAAMO CC(C)(C)[C@@H]1C[N@H+](C(C)(C)C)C[C@](O)(c2ccccc2)C1 ZINC000000758714 567834643 /nfs/dbraw/zinc/83/46/43/567834643.db2.gz JXFJOPCGNKFADS-LPHOPBHVSA-N 1 1 289.463 4.041 50 0 CIAAMO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@@H]1C ZINC000012597302 567863982 /nfs/dbraw/zinc/86/39/82/567863982.db2.gz YBJZPUIBFXVIHX-NSHDSACASA-N 1 1 276.405 4.086 50 0 CIAAMO COc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000013720638 567867441 /nfs/dbraw/zinc/86/74/41/567867441.db2.gz LWVYTXKIBBPDGZ-UHFFFAOYSA-N 1 1 293.366 4.245 50 0 CIAAMO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C)s2)no1 ZINC000015866865 567871579 /nfs/dbraw/zinc/87/15/79/567871579.db2.gz JZAWVNOSVZUJOI-INIZCTEOSA-N 1 1 290.432 4.334 50 0 CIAAMO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C)s2)no1 ZINC000015866865 567871580 /nfs/dbraw/zinc/87/15/80/567871580.db2.gz JZAWVNOSVZUJOI-INIZCTEOSA-N 1 1 290.432 4.334 50 0 CIAAMO Clc1cccc(Cl)c1C[NH2+]Cc1cccs1 ZINC000019797545 567879252 /nfs/dbraw/zinc/87/92/52/567879252.db2.gz LLVYATDTOLFHOS-UHFFFAOYSA-N 1 1 272.200 4.345 50 0 CIAAMO CCOc1ccccc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000022023230 567888251 /nfs/dbraw/zinc/88/82/51/567888251.db2.gz VWAIFCRILJHZSY-SFHVURJKSA-N 1 1 296.414 4.208 50 0 CIAAMO C[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)[C@@H]2CCCC[C@@H]12 ZINC000058518175 567895932 /nfs/dbraw/zinc/89/59/32/567895932.db2.gz HWVBEEZYQVDRBW-IJEWVQPXSA-N 1 1 284.403 4.228 50 0 CIAAMO Nc1ccc([C@@H]2CCCC[N@H+]2CCc2ccccc2)cc1 ZINC000064033784 567897474 /nfs/dbraw/zinc/89/74/74/567897474.db2.gz SJVFAJXDHFCTHY-IBGZPJMESA-N 1 1 280.415 4.039 50 0 CIAAMO CCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)on1 ZINC000064667035 567898086 /nfs/dbraw/zinc/89/80/86/567898086.db2.gz OVIKNLLBRQDVHB-HNNXBMFYSA-N 1 1 290.794 4.228 50 0 CIAAMO CCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)on1 ZINC000064667035 567898087 /nfs/dbraw/zinc/89/80/87/567898087.db2.gz OVIKNLLBRQDVHB-HNNXBMFYSA-N 1 1 290.794 4.228 50 0 CIAAMO CCc1cc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)on1 ZINC000064666969 567898131 /nfs/dbraw/zinc/89/81/31/567898131.db2.gz BCWMXXTYFLQSHW-OAHLLOKOSA-N 1 1 290.794 4.228 50 0 CIAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2)on1 ZINC000064666969 567898132 /nfs/dbraw/zinc/89/81/32/567898132.db2.gz BCWMXXTYFLQSHW-OAHLLOKOSA-N 1 1 290.794 4.228 50 0 CIAAMO C/C(=C\c1ccco1)C[N@H+]1CCC[C@H]1c1c(C)noc1C ZINC000065403311 567899266 /nfs/dbraw/zinc/89/92/66/567899266.db2.gz UGOFGRCGPZSOAC-TYZQSYOASA-N 1 1 286.375 4.125 50 0 CIAAMO Cc1ccsc1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000067678089 567900247 /nfs/dbraw/zinc/90/02/47/567900247.db2.gz KYWCWRYJLWQCPW-CQSZACIVSA-N 1 1 287.428 4.117 50 0 CIAAMO C[N@@H+](Cc1ccsc1)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000067872092 567900742 /nfs/dbraw/zinc/90/07/42/567900742.db2.gz AKERJTRGWCDGMJ-HNNXBMFYSA-N 1 1 291.416 4.215 50 0 CIAAMO C[N@H+](Cc1ccsc1)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000067872092 567900743 /nfs/dbraw/zinc/90/07/43/567900743.db2.gz AKERJTRGWCDGMJ-HNNXBMFYSA-N 1 1 291.416 4.215 50 0 CIAAMO Cc1ccc([C@H]2CCCCC[N@H+]2CC[C@@H]2CCCO2)o1 ZINC000097105164 567904673 /nfs/dbraw/zinc/90/46/73/567904673.db2.gz IBMHIEHMHANISN-JKSUJKDBSA-N 1 1 277.408 4.074 50 0 CIAAMO CSCC[C@@H](C)[N@@H+](C)Cc1cccc2ccccc21 ZINC000072290443 567908842 /nfs/dbraw/zinc/90/88/42/567908842.db2.gz CIQIVYMNRUOHTF-CQSZACIVSA-N 1 1 273.445 4.413 50 0 CIAAMO Cc1ncc(C[N@@H+]2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)s1 ZINC000095455778 567915255 /nfs/dbraw/zinc/91/52/55/567915255.db2.gz FQPFZENFXVNETH-MNOVXSKESA-N 1 1 290.407 4.098 50 0 CIAAMO Cc1ncc(C[N@H+]2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)s1 ZINC000095455778 567915256 /nfs/dbraw/zinc/91/52/56/567915256.db2.gz FQPFZENFXVNETH-MNOVXSKESA-N 1 1 290.407 4.098 50 0 CIAAMO Cc1ccn2c(c1)[nH+]c(-c1cccnc1)c2NC1CCCC1 ZINC000000417922 567930222 /nfs/dbraw/zinc/93/02/22/567930222.db2.gz CWIIRMXRSIKUPB-UHFFFAOYSA-N 1 1 292.386 4.059 50 0 CIAAMO CCC[N@@H+]1CCn2c3ccc(Cl)cc3c3c2[C@@H]1CCC3 ZINC000000517460 567941968 /nfs/dbraw/zinc/94/19/68/567941968.db2.gz DESAPYFZNNGTSP-INIZCTEOSA-N 1 1 288.822 4.398 50 0 CIAAMO CCC[N@H+]1CCn2c3ccc(Cl)cc3c3c2[C@@H]1CCC3 ZINC000000517460 567941969 /nfs/dbraw/zinc/94/19/69/567941969.db2.gz DESAPYFZNNGTSP-INIZCTEOSA-N 1 1 288.822 4.398 50 0 CIAAMO CC(C)=CC[N@@H+](Cc1ccsc1)Cc1ccco1 ZINC000055393202 570243221 /nfs/dbraw/zinc/24/32/21/570243221.db2.gz MXPMWIHFTHSXTH-UHFFFAOYSA-N 1 1 261.390 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/nfs/dbraw/zinc/95/36/06/567953606.db2.gz RVEZLNYTVLQUJA-LYBXBRPPSA-N 1 1 299.458 4.073 50 0 CIAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000011839946 570220581 /nfs/dbraw/zinc/22/05/81/570220581.db2.gz CVYWQMRDUUMZCA-CYBMUJFWSA-N 1 1 291.822 4.096 50 0 CIAAMO C[N@H+]1CCCC(=C(c2cccs2)c2cccs2)C1 ZINC000055161150 570241275 /nfs/dbraw/zinc/24/12/75/570241275.db2.gz JWIXXNLOKOAAQT-UHFFFAOYSA-N 1 1 275.442 4.337 50 0 in-man CIAAMO C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](C)c1c(C)n[nH]c1C ZINC000067432876 570246348 /nfs/dbraw/zinc/24/63/48/570246348.db2.gz LHQPBKGTXKPQGK-BYIUCRAPSA-N 1 1 283.419 4.123 50 0 CIAAMO Cc1c2ccccc2nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000003250528 570327439 /nfs/dbraw/zinc/32/74/39/570327439.db2.gz DPLYBJXZZQGMHV-UHFFFAOYSA-N 1 1 288.394 4.102 50 0 CIAAMO Cc1c2ccccc2nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000003250528 570327441 /nfs/dbraw/zinc/32/74/41/570327441.db2.gz DPLYBJXZZQGMHV-UHFFFAOYSA-N 1 1 288.394 4.102 50 0 CIAAMO ClC1=CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3[C@@H]2C1 ZINC000004025657 570330635 /nfs/dbraw/zinc/33/06/35/570330635.db2.gz BWKWEYCCHXBCAS-MZKGEVEHSA-N 1 1 298.817 4.230 50 0 CIAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000015836912 570344037 /nfs/dbraw/zinc/34/40/37/570344037.db2.gz ZYLSCHGUTDWXFM-GOSISDBHSA-N 1 1 285.362 4.171 50 0 CIAAMO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)s1 ZINC000127650481 187324019 /nfs/dbraw/zinc/32/40/19/187324019.db2.gz FUKZPWWYGGZKEI-ZDUSSCGKSA-N 1 1 278.446 4.240 50 0 CIAAMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)s1 ZINC000127650481 187324020 /nfs/dbraw/zinc/32/40/20/187324020.db2.gz FUKZPWWYGGZKEI-ZDUSSCGKSA-N 1 1 278.446 4.240 50 0 CIAAMO Cc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)c(C(C)(C)C)c1 ZINC000004845411 170029332 /nfs/dbraw/zinc/02/93/32/170029332.db2.gz VDEHWATYOOLXTD-INIZCTEOSA-N 1 1 289.463 4.403 50 0 CIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000004914477 170040674 /nfs/dbraw/zinc/04/06/74/170040674.db2.gz DKFNWXGOOBDMPS-IYBDPMFKSA-N 1 1 283.415 4.197 50 0 CIAAMO CCCCOc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000004987627 170049464 /nfs/dbraw/zinc/04/94/64/170049464.db2.gz GIHWMVAHCIUWMD-OAHLLOKOSA-N 1 1 261.409 4.097 50 0 CIAAMO COc1ccc(CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000004989374 170050187 /nfs/dbraw/zinc/05/01/87/170050187.db2.gz SCBMIRQPTJCGQS-MRXNPFEDSA-N 1 1 283.415 4.148 50 0 CIAAMO CC(C)[C@H](CC[NH2+]CCCN(C)C)c1ccc(Cl)cc1 ZINC000006661522 170223593 /nfs/dbraw/zinc/22/35/93/170223593.db2.gz ALMVPXHVZWWMFB-KRWDZBQOSA-N 1 1 296.886 4.011 50 0 CIAAMO CC[N@@H+](Cc1csc(C)c1C)Cc1ccccc1 ZINC000006895122 170254144 /nfs/dbraw/zinc/25/41/44/170254144.db2.gz FABJEDCTPPVEEG-UHFFFAOYSA-N 1 1 259.418 4.387 50 0 CIAAMO CCc1c(C[N@H+]2CCc3ccccc3C2)csc1C ZINC000006895147 170254194 /nfs/dbraw/zinc/25/41/94/170254194.db2.gz FCPUPIZQLBSKBF-UHFFFAOYSA-N 1 1 271.429 4.177 50 0 CIAAMO CCCC[N@@H+](C)Cc1c(C)[nH]c2ccc(Cl)cc2c1=O ZINC000008578365 170341320 /nfs/dbraw/zinc/34/13/20/170341320.db2.gz ISLGVESVDLEYLM-UHFFFAOYSA-N 1 1 292.810 4.134 50 0 CIAAMO CCCC[N@@H+](CC)Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008700843 170346656 /nfs/dbraw/zinc/34/66/56/170346656.db2.gz YHKBRMOTBZBMFL-UHFFFAOYSA-N 1 1 286.419 4.179 50 0 CIAAMO CC[C@@H]1CCCC[N@H+]1Cc1c(C)[nH]c2ccccc2c1=O ZINC000008700826 170346743 /nfs/dbraw/zinc/34/67/43/170346743.db2.gz OTRSXBMAUMMCSO-CQSZACIVSA-N 1 1 284.403 4.013 50 0 CIAAMO Cc1cc(C)c2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008713992 170348423 /nfs/dbraw/zinc/34/84/23/170348423.db2.gz PMLGVYZXYGVKFO-AWEZNQCLSA-N 1 1 298.430 4.240 50 0 CIAAMO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@@H+]1CCC[C@H](C)C1)c2=O ZINC000008717418 170349117 /nfs/dbraw/zinc/34/91/17/170349117.db2.gz JUWTVIWGBFWRRQ-LBPRGKRZSA-N 1 1 298.430 4.098 50 0 CIAAMO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@@H+]1CCCC[C@H]1C)c2=O ZINC000008717417 170349265 /nfs/dbraw/zinc/34/92/65/170349265.db2.gz DPOUHLUCOAIRPK-CQSZACIVSA-N 1 1 298.430 4.240 50 0 CIAAMO COc1ccccc1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000013720310 170581409 /nfs/dbraw/zinc/58/14/09/170581409.db2.gz FFOCNJXTVIUQKO-UHFFFAOYSA-N 1 1 296.197 4.292 50 0 CIAAMO C[N@@H+](CCCC1CCCC1)Cc1nc2cc(F)ccc2[nH]1 ZINC000020534508 171240509 /nfs/dbraw/zinc/24/05/09/171240509.db2.gz UMMXDKKDLQKUSW-UHFFFAOYSA-N 1 1 289.398 4.104 50 0 CIAAMO CCCOc1ccccc1C[NH2+]Cc1ccccc1Cl ZINC000020924367 171279767 /nfs/dbraw/zinc/27/97/67/171279767.db2.gz XYMUZOQTWARFQN-UHFFFAOYSA-N 1 1 289.806 4.419 50 0 CIAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1C ZINC000021720747 171320352 /nfs/dbraw/zinc/32/03/52/171320352.db2.gz HQIOXFPHTXNHAD-KRWDZBQOSA-N 1 1 298.430 4.499 50 0 CIAAMO c1cc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)cs1 ZINC000035179450 172032408 /nfs/dbraw/zinc/03/24/08/172032408.db2.gz CIJUUWFQCWIFOO-KRWDZBQOSA-N 1 1 280.396 4.022 50 0 CIAAMO Clc1ccccc1[C@H]1CCC[N@H+]1CCc1ccncc1 ZINC000040153672 174194471 /nfs/dbraw/zinc/19/44/71/174194471.db2.gz YPFUYYZYOXYRPT-QGZVFWFLSA-N 1 1 286.806 4.115 50 0 CIAAMO C[N@@H+]1CCc2c(c3ccccc3n2/C=C\c2ccccc2)C1 ZINC000045368891 175363875 /nfs/dbraw/zinc/36/38/75/175363875.db2.gz ZLTIDZRETNUAHX-KAMYIIQDSA-N 1 1 288.394 4.257 50 0 CIAAMO C[N@H+]1CCc2c(c3ccccc3n2/C=C\c2ccccc2)C1 ZINC000045368891 175363877 /nfs/dbraw/zinc/36/38/77/175363877.db2.gz ZLTIDZRETNUAHX-KAMYIIQDSA-N 1 1 288.394 4.257 50 0 CIAAMO Cc1ncsc1C[N@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000072141790 176323634 /nfs/dbraw/zinc/32/36/34/176323634.db2.gz RLINNZJGHGLXRI-OAHLLOKOSA-N 1 1 290.407 4.318 50 0 CIAAMO Fc1cc(Cl)ccc1OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072167196 176331670 /nfs/dbraw/zinc/33/16/70/176331670.db2.gz SYZQYSKOIYCNPZ-SWLSCSKDSA-N 1 1 297.801 4.122 50 0 CIAAMO Cc1nc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)cs1 ZINC000076805053 177100496 /nfs/dbraw/zinc/10/04/96/177100496.db2.gz KVLCFRNQFIQIKU-CQSZACIVSA-N 1 1 276.405 4.162 50 0 CIAAMO Cc1nc(C[N@H+]2CCCCC[C@@H]2c2ccco2)cs1 ZINC000076805053 177100498 /nfs/dbraw/zinc/10/04/98/177100498.db2.gz KVLCFRNQFIQIKU-CQSZACIVSA-N 1 1 276.405 4.162 50 0 CIAAMO Fc1ccc(C[N@@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000078704886 177373401 /nfs/dbraw/zinc/37/34/01/177373401.db2.gz YAVVJDNUCRNNOD-UHFFFAOYSA-N 1 1 287.353 4.172 50 0 CIAAMO Cc1ccc(OCCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000002844241 260010253 /nfs/dbraw/zinc/01/02/53/260010253.db2.gz HQSGVANNJFLMFK-UHFFFAOYSA-N 1 1 295.426 4.212 50 0 CIAAMO Cc1cnc([C@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)s1 ZINC000097017249 534657954 /nfs/dbraw/zinc/65/79/54/534657954.db2.gz MONGOAKTVKBIOR-IINYFYTJSA-N 1 1 292.835 4.443 50 0 CIAAMO Cc1cnc([C@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)s1 ZINC000097017254 534658615 /nfs/dbraw/zinc/65/86/15/534658615.db2.gz MONGOAKTVKBIOR-HZMBPMFUSA-N 1 1 292.835 4.443 50 0 CIAAMO c1ccc(Oc2ccc(O[C@@]34CC[N@@H+](C3)CCC4)cc2)cc1 ZINC000067740648 526488762 /nfs/dbraw/zinc/48/87/62/526488762.db2.gz NXALTMVPMHHBFI-IBGZPJMESA-N 1 1 295.382 4.096 50 0 CIAAMO Clc1cccc(Cl)c1C[NH2+]Cc1ccccc1 ZINC000016480074 567872947 /nfs/dbraw/zinc/87/29/47/567872947.db2.gz MZVRJOKADDNFQS-UHFFFAOYSA-N 1 1 266.171 4.283 50 0 CIAAMO Clc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1Cl ZINC000001302121 566860575 /nfs/dbraw/zinc/86/05/75/566860575.db2.gz CZPFDBASOLMDDM-UHFFFAOYSA-N 1 1 292.169 4.482 50 0 CIAAMO Cc1cccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000015837199 566921149 /nfs/dbraw/zinc/92/11/49/566921149.db2.gz FEFHTVKZUIMWBR-SFHVURJKSA-N 1 1 269.363 4.471 50 0 CIAAMO Fc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2)c1 ZINC000015837261 566921497 /nfs/dbraw/zinc/92/14/97/566921497.db2.gz GNGTXBKHMLTOSL-QGZVFWFLSA-N 1 1 291.316 4.441 50 0 CIAAMO Fc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2)c1 ZINC000015837261 566921503 /nfs/dbraw/zinc/92/15/03/566921503.db2.gz GNGTXBKHMLTOSL-QGZVFWFLSA-N 1 1 291.316 4.441 50 0 CIAAMO C[C@@H](c1cccs1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000053428509 566941947 /nfs/dbraw/zinc/94/19/47/566941947.db2.gz VFXAMCVTCHUEIO-NSHDSACASA-N 1 1 272.373 4.082 50 0 CIAAMO C[C@@H](c1cccs1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000053428509 566941950 /nfs/dbraw/zinc/94/19/50/566941950.db2.gz VFXAMCVTCHUEIO-NSHDSACASA-N 1 1 272.373 4.082 50 0 CIAAMO CCc1cnc([C@@H](C)[NH2+][C@H]2CCCc3occc32)s1 ZINC000123800458 566960565 /nfs/dbraw/zinc/96/05/65/566960565.db2.gz CFUVCVIZATVGAO-MFKMUULPSA-N 1 1 276.405 4.027 50 0 CIAAMO Fc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2ccco2)cc1 ZINC000092850462 566971485 /nfs/dbraw/zinc/97/14/85/566971485.db2.gz FPCZGRPZTJKYQG-ZDUSSCGKSA-N 1 1 287.256 4.202 50 0 CIAAMO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccnc2)cc1Cl ZINC000426359572 566989391 /nfs/dbraw/zinc/98/93/91/566989391.db2.gz DUKJJYQPUKKUIY-CYBMUJFWSA-N 1 1 286.806 4.386 50 0 CIAAMO CCC[N@H+](Cc1ccc(C)cc1C)C[C@H](O)c1ccccc1 ZINC000036100781 566994127 /nfs/dbraw/zinc/99/41/27/566994127.db2.gz HCELJJUSYCLHEU-FQEVSTJZSA-N 1 1 297.442 4.249 50 0 CIAAMO Cc1ccc2[nH+]c(Nc3ccc(Cl)cc3)[nH]c2c1 ZINC000041596673 567008738 /nfs/dbraw/zinc/00/87/38/567008738.db2.gz JGDVOFQCBHOVQG-UHFFFAOYSA-N 1 1 257.724 4.268 50 0 CIAAMO CS[C@H]1CCCC[N@H+]([C@@H]2CCCc3nc(C)sc32)C1 ZINC000170604799 567014151 /nfs/dbraw/zinc/01/41/51/567014151.db2.gz ROAOUQOHGCJAGT-GXTWGEPZSA-N 1 1 296.505 4.046 50 0 CIAAMO C[C@H]1CCCC[N@H+]1Cc1cncc(-c2ccccc2F)c1 ZINC000037553741 567067334 /nfs/dbraw/zinc/06/73/34/567067334.db2.gz VSWRHIOEFPTCGV-AWEZNQCLSA-N 1 1 284.378 4.262 50 0 CIAAMO CC[N@@H+](C)Cc1cncc(-c2ccc3ccccc3c2)c1 ZINC000037553844 567068028 /nfs/dbraw/zinc/06/80/28/567068028.db2.gz LYPMFVKHCKMJJT-UHFFFAOYSA-N 1 1 276.383 4.354 50 0 CIAAMO CCSCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000079110807 567122606 /nfs/dbraw/zinc/12/26/06/567122606.db2.gz DJOFLBFYBOZVCW-CQSZACIVSA-N 1 1 290.432 4.108 50 0 CIAAMO C[C@@H](c1cccnc1)[N@@H+](C)CCSc1ccccc1F ZINC000095446716 567132920 /nfs/dbraw/zinc/13/29/20/567132920.db2.gz MSJOMTRPHBISHU-ZDUSSCGKSA-N 1 1 290.407 4.006 50 0 CIAAMO C[N@H+]1CCCC[C@@H]1C1(c2ccccc2)CCCCC1 ZINC000096027009 567138273 /nfs/dbraw/zinc/13/82/73/567138273.db2.gz KJFNUMVYIPSFHG-QGZVFWFLSA-N 1 1 257.421 4.373 50 0 CIAAMO CCCC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000057406158 567154839 /nfs/dbraw/zinc/15/48/39/567154839.db2.gz ABHAGKGIFYJAPQ-UHFFFAOYSA-N 1 1 251.373 4.488 50 0 CIAAMO C[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C[N@@H+]21 ZINC000004023048 567184197 /nfs/dbraw/zinc/18/41/97/567184197.db2.gz NYVOMCNJIDSPNP-BUXKBTBVSA-N 1 1 274.367 4.018 50 0 CIAAMO C[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C[N@H+]21 ZINC000004023048 567184203 /nfs/dbraw/zinc/18/42/03/567184203.db2.gz NYVOMCNJIDSPNP-BUXKBTBVSA-N 1 1 274.367 4.018 50 0 CIAAMO O=C1C(c2ccccc2)Sc2ccc3ccccc3[n+]21 ZINC000000304248 567824659 /nfs/dbraw/zinc/82/46/59/567824659.db2.gz IFAKWXOFYVAAKW-UHFFFAOYSA-O 1 1 278.356 4.013 50 0 CIAAMO Cc1ccc(C(C)C)c(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000000311249 567825036 /nfs/dbraw/zinc/82/50/36/567825036.db2.gz JTORNYBQOJZVEB-CALCHBBNSA-N 1 1 289.463 4.475 50 0 CIAAMO COc1ccc(C[N@@H+]2CC=C(Cc3ccccc3)CC2)cc1 ZINC000001227663 567836495 /nfs/dbraw/zinc/83/64/95/567836495.db2.gz RWSJOKBIBIYSFD-UHFFFAOYSA-N 1 1 293.410 4.070 50 0 CIAAMO CC[C@@H](C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000012984366 567864841 /nfs/dbraw/zinc/86/48/41/567864841.db2.gz 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CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2cccs2)no1 ZINC000015866923 567871614 /nfs/dbraw/zinc/87/16/14/567871614.db2.gz DPKMAVQXTXPJEZ-AWEZNQCLSA-N 1 1 276.405 4.197 50 0 CIAAMO c1csc([C@H]2CCCCC[N@@H+]2Cc2ccccn2)c1 ZINC000033087289 567886661 /nfs/dbraw/zinc/88/66/61/567886661.db2.gz WHHQLFPFHUKLPY-OAHLLOKOSA-N 1 1 272.417 4.260 50 0 CIAAMO Fc1ccccc1[C@H]1CC[N@H+]1CCCOc1ccccc1 ZINC000072308981 567886837 /nfs/dbraw/zinc/88/68/37/567886837.db2.gz MBBFLDQFRFECHN-GOSISDBHSA-N 1 1 285.362 4.042 50 0 CIAAMO Cc1ccc(C)c(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000001227929 567887767 /nfs/dbraw/zinc/88/77/67/567887767.db2.gz JJGZRNNMCWUDSR-UHFFFAOYSA-N 1 1 290.410 4.343 50 0 CIAAMO Cc1ccc(C)c(C[N@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000001227929 567887768 /nfs/dbraw/zinc/88/77/68/567887768.db2.gz JJGZRNNMCWUDSR-UHFFFAOYSA-N 1 1 290.410 4.343 50 0 CIAAMO Nc1ccc([C@H]2CCCC[N@H+]2CCc2ccccc2)cc1 ZINC000064033782 567897759 /nfs/dbraw/zinc/89/77/59/567897759.db2.gz SJVFAJXDHFCTHY-LJQANCHMSA-N 1 1 280.415 4.039 50 0 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CC[C@@H](C)c1ccccc1OCC[N@H+]1CCC[C@H](C)C1 ZINC000004906594 170040144 /nfs/dbraw/zinc/04/01/44/170040144.db2.gz ODYGTZFICIVCRH-JKSUJKDBSA-N 1 1 275.436 4.311 50 0 CIAAMO Clc1cccc(-c2ccc(C[NH2+]Cc3ccccn3)o2)c1 ZINC000004942893 170043445 /nfs/dbraw/zinc/04/34/45/170043445.db2.gz OQHHMIWFZJWKHU-UHFFFAOYSA-N 1 1 298.773 4.285 50 0 CIAAMO Cc1cc([NH2+]Cc2ccc(F)cc2)[nH]c2cc(=O)ccc1-2 ZINC000004961189 170045631 /nfs/dbraw/zinc/04/56/31/170045631.db2.gz IWXYZYQLHWOTAB-UHFFFAOYSA-N 1 1 282.318 4.000 50 0 CIAAMO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000005532744 170109603 /nfs/dbraw/zinc/10/96/03/170109603.db2.gz NUOGZNCSIVXAOD-OKILXGFUSA-N 1 1 298.430 4.230 50 0 CIAAMO CC(C)[C@@H](CC[NH2+]CCCN(C)C)c1ccc(Cl)cc1 ZINC000006661521 170223475 /nfs/dbraw/zinc/22/34/75/170223475.db2.gz ALMVPXHVZWWMFB-QGZVFWFLSA-N 1 1 296.886 4.011 50 0 CIAAMO CC[C@@H]1CCCC[N@H+]1Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008700837 170346607 /nfs/dbraw/zinc/34/66/07/170346607.db2.gz VAHWGRMDQBRJGP-OAHLLOKOSA-N 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/nfs/dbraw/zinc/04/21/83/328042183.db2.gz CDVRHGCFCBPRIB-MRXNPFEDSA-N 1 1 270.376 4.135 50 0 CIAAMO Brc1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000000512995 526642886 /nfs/dbraw/zinc/64/28/86/526642886.db2.gz IJLFUKZUJNSCDH-UHFFFAOYSA-N 1 1 288.148 4.069 50 0 CIAAMO CC(C)n1c2ccccc2[nH+]c1Nc1ccc(F)cc1 ZINC000000513196 528543181 /nfs/dbraw/zinc/54/31/81/528543181.db2.gz NKDRLGNOPKKSFO-UHFFFAOYSA-N 1 1 269.323 4.500 50 0 CIAAMO Fc1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000015837321 566921312 /nfs/dbraw/zinc/92/13/12/566921312.db2.gz MJGNYGQPSOYZJX-KRWDZBQOSA-N 1 1 255.336 4.163 50 0 CIAAMO C[C@H]1[C@H](O)[C@@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000239212610 566965991 /nfs/dbraw/zinc/96/59/91/566965991.db2.gz TUHNPNHADQMPAJ-DGWIIEBVSA-N 1 1 295.426 4.048 50 0 CIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc3c2CCCC3)C1 ZINC000006895110 567000927 /nfs/dbraw/zinc/00/09/27/567000927.db2.gz RHLPGVJPLXUHTK-BETUJISGSA-N 1 1 263.450 4.105 50 0 CIAAMO Cc1ccc2[nH+]c(Nc3cccc(Cl)c3)[nH]c2c1 ZINC000041596707 567008134 /nfs/dbraw/zinc/00/81/34/567008134.db2.gz YBGDAGHQYYLRMT-UHFFFAOYSA-N 1 1 257.724 4.268 50 0 CIAAMO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)no1 ZINC000252489353 567057746 /nfs/dbraw/zinc/05/77/46/567057746.db2.gz JOQQCYAOBIUZRR-KGLIPLIRSA-N 1 1 288.391 4.182 50 0 CIAAMO CCCC[N@@H+](Cc1csc(CC)n1)[C@@H](C)CC ZINC000095349903 567129401 /nfs/dbraw/zinc/12/94/01/567129401.db2.gz JTKXOQFHSQDTCS-LBPRGKRZSA-N 1 1 254.443 4.106 50 0 CIAAMO CCCC[N@@H+](CCC)[C@@H]1CCc2cccc(OC)c2C1 ZINC000096026985 567139123 /nfs/dbraw/zinc/13/91/23/567139123.db2.gz YALOBKBKTDHANV-MRXNPFEDSA-N 1 1 275.436 4.065 50 0 CIAAMO Cc1[nH+]c(/C=C/c2ccc(Cl)cc2)n2ccccc12 ZINC000004136295 567190387 /nfs/dbraw/zinc/19/03/87/567190387.db2.gz FCSYBQBFCYPXIP-JXMROGBWSA-N 1 1 268.747 4.467 50 0 CIAAMO Cc1[nH+]c2ccc(F)cc2c2c1CCN2c1ccccc1 ZINC000000159414 567820603 /nfs/dbraw/zinc/82/06/03/567820603.db2.gz ODRCSUDERKXLTQ-UHFFFAOYSA-N 1 1 278.330 4.377 50 0 CIAAMO C[N@@H+](C[C@H](O)c1ccccc1)C1CCC(C(C)(C)C)CC1 ZINC000000213237 567822595 /nfs/dbraw/zinc/82/25/95/567822595.db2.gz PWFREQYOBTURQM-ABHNRTSZSA-N 1 1 289.463 4.257 50 0 CIAAMO CC[N@@H+](CCO)Cc1csc2ccc(C(C)(C)C)cc12 ZINC000000338836 567825651 /nfs/dbraw/zinc/82/56/51/567825651.db2.gz WYIMISUFHIJOTF-UHFFFAOYSA-N 1 1 291.460 4.013 50 0 CIAAMO CC(C)n1c2ccccc2[nH+]c1Nc1ccccc1 ZINC000000508130 567833102 /nfs/dbraw/zinc/83/31/02/567833102.db2.gz VJFHLVODYOCOPX-UHFFFAOYSA-N 1 1 251.333 4.361 50 0 CIAAMO CCCC[N@@H+](C)CCCOc1cccc2ccccc21 ZINC000003003237 567851398 /nfs/dbraw/zinc/85/13/98/567851398.db2.gz VSEOAGOWIAUJDS-UHFFFAOYSA-N 1 1 271.404 4.341 50 0 CIAAMO [NH2+]=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1 ZINC000003194921 567852068 /nfs/dbraw/zinc/85/20/68/567852068.db2.gz VNYZXAWPYYMSBK-UHFFFAOYSA-N 1 1 276.261 4.051 50 0 CIAAMO Cc1c(C)c(C)c(C[N@@H+]2CCC[C@H](C)C2)c(C)c1C ZINC000004322046 567856577 /nfs/dbraw/zinc/85/65/77/567856577.db2.gz QSFWKRLFDMVZAV-LBPRGKRZSA-N 1 1 259.437 4.461 50 0 CIAAMO 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CC(C)CC[C@H](c1ccccc1)[N@@H+](C)Cc1nccn1C ZINC000055036427 570240484 /nfs/dbraw/zinc/24/04/84/570240484.db2.gz FFUNADXGIAHACW-QGZVFWFLSA-N 1 1 285.435 4.029 50 0 CIAAMO CC(C)=CC[N@@H+](Cc1ccsc1)Cc1cccnc1 ZINC000055118856 570241254 /nfs/dbraw/zinc/24/12/54/570241254.db2.gz OQKCCKPCXXWUEG-UHFFFAOYSA-N 1 1 272.417 4.112 50 0 CIAAMO CC(C)=CC[N@H+](Cc1ccsc1)Cc1cccnc1 ZINC000055118856 570241253 /nfs/dbraw/zinc/24/12/53/570241253.db2.gz OQKCCKPCXXWUEG-UHFFFAOYSA-N 1 1 272.417 4.112 50 0 CIAAMO C[C@H](c1ccco1)[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055371204 570242944 /nfs/dbraw/zinc/24/29/44/570242944.db2.gz GEMLDFIWEBCMBG-GFCCVEGCSA-N 1 1 299.349 4.002 50 0 CIAAMO C/C(=C\c1ccccc1)C[N@H+](C)[C@H](C)c1c(C)n[nH]c1C ZINC000067432871 570246359 /nfs/dbraw/zinc/24/63/59/570246359.db2.gz LHQPBKGTXKPQGK-SICOMBFOSA-N 1 1 283.419 4.123 50 0 CIAAMO Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000078938658 570272976 /nfs/dbraw/zinc/27/29/76/570272976.db2.gz UZHVMMYTMPFKFL-MOPGFXCFSA-N 1 1 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/nfs/dbraw/zinc/03/64/73/170036473.db2.gz OCHJQTFQKMOYPN-GFCCVEGCSA-N 1 1 281.827 4.068 50 0 CIAAMO CCc1cc(OCC[N@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000004913985 170040353 /nfs/dbraw/zinc/04/03/53/170040353.db2.gz QFXFRLNKNUFHEW-CYBMUJFWSA-N 1 1 281.827 4.013 50 0 CIAAMO COc1ccc(CC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000006667601 170224124 /nfs/dbraw/zinc/22/41/24/170224124.db2.gz VDYGGVFOPQAMIV-MRXNPFEDSA-N 1 1 295.426 4.075 50 0 CIAAMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C(C)C)cc1 ZINC000006711218 170231245 /nfs/dbraw/zinc/23/12/45/170231245.db2.gz JHZMLJBPHAGTLX-UHFFFAOYSA-N 1 1 268.404 4.227 50 0 CIAAMO CC[N@H+]1Cc2cccc(CNc3cc(C)cc(C)c3)c2C1 ZINC000006803903 170245277 /nfs/dbraw/zinc/24/52/77/170245277.db2.gz UPYQYJVQXRCOKM-UHFFFAOYSA-N 1 1 280.415 4.251 50 0 CIAAMO [NH2+]=C1c2ccccc2CN1c1cccc2ccccc21 ZINC000006864980 170251216 /nfs/dbraw/zinc/25/12/16/170251216.db2.gz LVPSAYSNDFKORL-UHFFFAOYSA-N 1 1 258.324 4.185 50 0 CIAAMO Cc1cc(C)c2[nH]c(C)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008714106 170348528 /nfs/dbraw/zinc/34/85/28/170348528.db2.gz NDIDAJITJGQMNJ-GFCCVEGCSA-N 1 1 298.430 4.098 50 0 CIAAMO COc1ccccc1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000013720624 170581600 /nfs/dbraw/zinc/58/16/00/170581600.db2.gz ODAPQSKORKOJKK-UHFFFAOYSA-N 1 1 296.197 4.292 50 0 CIAAMO COc1ccccc1[C@H](C)[NH2+]Cc1nc2ccccc2s1 ZINC000020136107 171023923 /nfs/dbraw/zinc/02/39/23/171023923.db2.gz GKSCBCPRBKLKKC-LBPRGKRZSA-N 1 1 298.411 4.156 50 0 CIAAMO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cccc2ccccc21 ZINC000021579352 171317026 /nfs/dbraw/zinc/31/70/26/171317026.db2.gz GIFHONHHXVOEJK-OAHLLOKOSA-N 1 1 276.383 4.218 50 0 CIAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1ccccc1Cl ZINC000021720706 171320266 /nfs/dbraw/zinc/32/02/66/171320266.db2.gz JDVXLPAPIVYZBP-OAHLLOKOSA-N 1 1 290.794 4.282 50 0 CIAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C)cc1C ZINC000021719807 171320589 /nfs/dbraw/zinc/32/05/89/171320589.db2.gz LNIJQMWYYBXZTA-QGZVFWFLSA-N 1 1 284.403 4.245 50 0 CIAAMO C[C@@H]1CCCC[N@H+]1Cc1cncc(-c2cccc(F)c2)c1 ZINC000037279022 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/nfs/dbraw/zinc/13/95/30/567139530.db2.gz YALOBKBKTDHANV-INIZCTEOSA-N 1 1 275.436 4.065 50 0 CIAAMO CC(C)=CCCC1=CC[C@@H](C[NH2+]CCCN(C)C)[C@H](C)C1 ZINC000004023555 567185762 /nfs/dbraw/zinc/18/57/62/567185762.db2.gz RFROODWOQYPGPX-MJGOQNOKSA-N 1 1 292.511 4.247 50 0 CIAAMO CCC[C@H](C)c1c(-c2ccccc2)ncn1Cc1[nH]cc[nH+]1 ZINC000067458146 567197226 /nfs/dbraw/zinc/19/72/26/567197226.db2.gz CVVHQIQRCHAKLG-AWEZNQCLSA-N 1 1 294.402 4.225 50 0 CIAAMO CCOc1cccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000000275225 567823499 /nfs/dbraw/zinc/82/34/99/567823499.db2.gz ZBPOHJUGMDJWPL-IBGZPJMESA-N 1 1 296.414 4.208 50 0 CIAAMO CCC[N@@H+](CC)C[C@H]1COC2(CCC(C(C)(C)C)CC2)O1 ZINC000000967717 567835323 /nfs/dbraw/zinc/83/53/23/567835323.db2.gz PUYXTUJWRLOUCW-PQUAAJSLSA-N 1 1 297.483 4.066 50 0 in-vitro CIAAMO C[C@@H]([NH2+]Cc1ccccn1)c1ccc(Cl)cc1Cl ZINC000019957475 567880091 /nfs/dbraw/zinc/88/00/91/567880091.db2.gz HZPSIVFAYQWQLP-SNVBAGLBSA-N 1 1 281.186 4.239 50 0 CIAAMO Clc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000005394898 567881031 /nfs/dbraw/zinc/88/10/31/567881031.db2.gz MTHGWWLIOZAHNR-QGZVFWFLSA-N 1 1 286.806 4.462 50 0 CIAAMO Clc1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000005394898 567881032 /nfs/dbraw/zinc/88/10/32/567881032.db2.gz MTHGWWLIOZAHNR-QGZVFWFLSA-N 1 1 286.806 4.462 50 0 CIAAMO c1ccc([C@@H]2CC[N@H+]3CCc4c5ccccc5[nH]c4[C@H]23)cc1 ZINC000028567673 567883783 /nfs/dbraw/zinc/88/37/83/567883783.db2.gz XOMCRCUXIXQLCN-YWZLYKJASA-N 1 1 288.394 4.255 50 0 CIAAMO CC(C)=CCC/C(C)=C/C[N@@H+](C)CCc1ccccn1 ZINC000003682118 567888257 /nfs/dbraw/zinc/88/82/57/567888257.db2.gz FPFNTAWVIXQJIP-GZTJUZNOSA-N 1 1 272.436 4.249 50 0 CIAAMO Cc1noc(C)c1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000058392942 567895991 /nfs/dbraw/zinc/89/59/91/567895991.db2.gz BSZZACNBISBDTF-UHFFFAOYSA-N 1 1 284.403 4.094 50 0 CIAAMO CC[C@H]1CCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000059384414 567896301 /nfs/dbraw/zinc/89/63/01/567896301.db2.gz WTUFKUGXDYGWLD-RYUDHWBXSA-N 1 1 253.336 4.148 50 0 CIAAMO Clc1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000065423526 567899398 /nfs/dbraw/zinc/89/93/98/567899398.db2.gz UAAOLCBFEWZOEP-INIZCTEOSA-N 1 1 272.779 4.072 50 0 CIAAMO C[N@H+]1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000023340204 567922897 /nfs/dbraw/zinc/92/28/97/567922897.db2.gz SVMNNWFUNGOBET-INIZCTEOSA-N 1 1 295.382 4.003 50 0 CIAAMO C[N@@H+](Cc1ccccc1)Cn1c2ccccc2oc1=S ZINC000000175292 567924291 /nfs/dbraw/zinc/92/42/91/567924291.db2.gz QHORUTJASAPSIU-UHFFFAOYSA-N 1 1 284.384 4.053 50 0 CIAAMO C[N@H+](Cc1ccccc1)Cn1c2ccccc2oc1=S ZINC000000175292 567924293 /nfs/dbraw/zinc/92/42/93/567924293.db2.gz QHORUTJASAPSIU-UHFFFAOYSA-N 1 1 284.384 4.053 50 0 CIAAMO Cc1cc(Nc2ccccc2)nc(NCc2ccccc2)[nH+]1 ZINC000000524282 567942443 /nfs/dbraw/zinc/94/24/43/567942443.db2.gz JBMDCMXLJQREND-UHFFFAOYSA-N 1 1 290.370 4.141 50 0 CIAAMO CO[C@@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)s2)C1 ZINC000215935571 567947317 /nfs/dbraw/zinc/94/73/17/567947317.db2.gz WJQNDPXHCOVKHE-CQSZACIVSA-N 1 1 279.449 4.017 50 0 CIAAMO CC(C)c1nc(C[N@H+](C)Cc2cccc3[nH]ccc32)cs1 ZINC000216388334 567947478 /nfs/dbraw/zinc/94/74/78/567947478.db2.gz YHVXZNZXKNEWPN-UHFFFAOYSA-N 1 1 299.443 4.380 50 0 CIAAMO CC(C)c1nc(C[N@@H+](C)Cc2cccc3[nH]ccc32)cs1 ZINC000216388334 567947479 /nfs/dbraw/zinc/94/74/79/567947479.db2.gz YHVXZNZXKNEWPN-UHFFFAOYSA-N 1 1 299.443 4.380 50 0 CIAAMO Clc1ccccc1[C@@H]1[NH2+]Cc2ccccc2-n2cccc21 ZINC000055211532 570241423 /nfs/dbraw/zinc/24/14/23/570241423.db2.gz FKCSRQZNFKVXFD-SFHVURJKSA-N 1 1 294.785 4.323 50 0 CIAAMO c1cnn(-c2ccc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)cc2)c1 ZINC000048264431 570296572 /nfs/dbraw/zinc/29/65/72/570296572.db2.gz LSWMOTYWUFMXAB-MJGOQNOKSA-N 1 1 295.430 4.027 50 0 CIAAMO Cc1ccccc1C[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000048812042 570299525 /nfs/dbraw/zinc/29/95/25/570299525.db2.gz NLCNDFMPQSLKOE-UHFFFAOYSA-N 1 1 292.382 4.282 50 0 CIAAMO Cc1ccccc1C[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000048812042 570299528 /nfs/dbraw/zinc/29/95/28/570299528.db2.gz NLCNDFMPQSLKOE-UHFFFAOYSA-N 1 1 292.382 4.282 50 0 CIAAMO c1cc([C@H]2CCCO2)sc1C[N@H+]1CCc2ccccc2C1 ZINC000223850477 570313683 /nfs/dbraw/zinc/31/36/83/570313683.db2.gz ZZOQWEIMTZNFRG-QGZVFWFLSA-N 1 1 299.439 4.158 50 0 CIAAMO C[N@@H+]1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1 ZINC000000002299 570319126 /nfs/dbraw/zinc/31/91/26/570319126.db2.gz VSWBSWWIRNCQIJ-HUUCEWRRSA-N 1 1 285.774 4.259 50 0 fda CIAAMO C[N@H+]1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1 ZINC000000002299 570319129 /nfs/dbraw/zinc/31/91/29/570319129.db2.gz VSWBSWWIRNCQIJ-HUUCEWRRSA-N 1 1 285.774 4.259 50 0 fda CIAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000015836909 570343819 /nfs/dbraw/zinc/34/38/19/570343819.db2.gz ZYLSCHGUTDWXFM-SFHVURJKSA-N 1 1 285.362 4.171 50 0 CIAAMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000015836879 570343941 /nfs/dbraw/zinc/34/39/41/570343941.db2.gz AECYUMKKCAJWRY-GOSISDBHSA-N 1 1 251.373 4.332 50 0 CIAAMO CC[C@@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000054011544 570355427 /nfs/dbraw/zinc/35/54/27/570355427.db2.gz UETPNEWKPVETDV-CQSZACIVSA-N 1 1 299.418 4.039 50 0 CIAAMO CCOC(=O)[C@H]1CCCC[N@H+]1CC[C@H](C)CCC=C(C)C ZINC000104834683 186026858 /nfs/dbraw/zinc/02/68/58/186026858.db2.gz BMIQADKTRACVCS-IAGOWNOFSA-N 1 1 295.467 4.177 50 0 CIAAMO COc1ccc2c(c1)/C(=C/C=C1\C=CC=C(C)[N@@H+]1C)C=N2 ZINC000334157079 206119974 /nfs/dbraw/zinc/11/99/74/206119974.db2.gz XYVGJRRIYDPJLH-IROCBMIISA-N 1 1 278.355 4.084 50 0 CIAAMO COc1ccc2c(c1)/C(=C/C=C1\C=CC=C(C)[N@H+]1C)C=N2 ZINC000334157079 206119977 /nfs/dbraw/zinc/11/99/77/206119977.db2.gz XYVGJRRIYDPJLH-IROCBMIISA-N 1 1 278.355 4.084 50 0 CIAAMO CCCC[C@@H](CC)C[N@H+]1CCCN[C@]1(C)c1ccccc1 ZINC000257358973 190038288 /nfs/dbraw/zinc/03/82/88/190038288.db2.gz XSDKFZIGOKCVDM-MJGOQNOKSA-N 1 1 288.479 4.371 50 0 CIAAMO O=C(CC[N@H+]1CCCC2(CCCCC2)C1)c1ccccc1 ZINC000004888622 170036162 /nfs/dbraw/zinc/03/61/62/170036162.db2.gz QCUYEXTXBTUFAE-UHFFFAOYSA-N 1 1 285.431 4.306 50 0 CIAAMO CCCCOc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000004987625 170049725 /nfs/dbraw/zinc/04/97/25/170049725.db2.gz GIHWMVAHCIUWMD-HNNXBMFYSA-N 1 1 261.409 4.097 50 0 CIAAMO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000005555572 170112735 /nfs/dbraw/zinc/11/27/35/170112735.db2.gz RWSKYXGTZCYANP-DZGCQCFKSA-N 1 1 298.430 4.088 50 0 CIAAMO CSC1=[NH+]C(C)(C)C=C(C=Cc2ccccc2Cl)N1 ZINC000005625248 170121595 /nfs/dbraw/zinc/12/15/95/170121595.db2.gz SFXDDKDULSWQFM-CMDGGOBGSA-N 1 1 292.835 4.338 50 0 CIAAMO C[C@@H]1C(=O)C[C@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000005730030 170134477 /nfs/dbraw/zinc/13/44/77/170134477.db2.gz DZCQBSKDIIAQHT-LSBZLQRGSA-N 1 1 279.383 4.010 50 0 aggregator CIAAMO C[C@@H]1C(=O)C[C@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000005730030 170134478 /nfs/dbraw/zinc/13/44/78/170134478.db2.gz DZCQBSKDIIAQHT-LSBZLQRGSA-N 1 1 279.383 4.010 50 0 aggregator CIAAMO Cc1[nH+]c2c(c3[nH]c4ccccc4c31)C(=O)CC(C)(C)C2 ZINC000005956589 170162107 /nfs/dbraw/zinc/16/21/07/170162107.db2.gz MYJALUBFHMSVHS-UHFFFAOYSA-N 1 1 278.355 4.180 50 0 CIAAMO Cc1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000006787327 170243605 /nfs/dbraw/zinc/24/36/05/170243605.db2.gz CWKWHSUYLLCGJS-UHFFFAOYSA-N 1 1 263.743 4.077 50 0 CIAAMO COc1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)cc1 ZINC000007538340 170289963 /nfs/dbraw/zinc/28/99/63/170289963.db2.gz FPDMITKWZXZMOF-UHFFFAOYSA-N 1 1 296.197 4.292 50 0 CIAAMO Cc1[nH]c2ccccc2c(=O)c1C[N@H+](C)C1CCCCC1 ZINC000008691922 170345973 /nfs/dbraw/zinc/34/59/73/170345973.db2.gz DNZQLSCGSOLHMB-UHFFFAOYSA-N 1 1 284.403 4.013 50 0 CIAAMO CCCC[N@@H+](C)Cc1c(C)[nH]c2ccc(CC)cc2c1=O ZINC000008714068 170348406 /nfs/dbraw/zinc/34/84/06/170348406.db2.gz BAGAPHDXZHWPNK-UHFFFAOYSA-N 1 1 286.419 4.043 50 0 CIAAMO Cc1ccc2c(=O)c(C[N@@H+]3CCCC[C@@H]3C)c(C)[nH]c2c1C ZINC000009601772 170382609 /nfs/dbraw/zinc/38/26/09/170382609.db2.gz LCJVDOPYRSAAHW-ZDUSSCGKSA-N 1 1 298.430 4.240 50 0 CIAAMO C[C@H]1c2cccn2CC[N@@H+]1Cc1cccc2ccccc21 ZINC000021579348 171317152 /nfs/dbraw/zinc/31/71/52/171317152.db2.gz GIFHONHHXVOEJK-HNNXBMFYSA-N 1 1 276.383 4.218 50 0 CIAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000021720936 171320457 /nfs/dbraw/zinc/32/04/57/171320457.db2.gz BMAQODCFOXMGAJ-HNNXBMFYSA-N 1 1 288.366 4.022 50 0 CIAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000021720777 171321140 /nfs/dbraw/zinc/32/11/40/171321140.db2.gz VRPLWUNRLHUTFA-OAHLLOKOSA-N 1 1 288.366 4.022 50 0 CIAAMO CC[C@H](C)[N@@H+](Cc1ccc(NC(C)=O)cc1)C1CCCC1 ZINC000063882391 175689770 /nfs/dbraw/zinc/68/97/70/175689770.db2.gz FCVFYCFVYPWLOZ-AWEZNQCLSA-N 1 1 288.435 4.188 50 0 CIAAMO CC[C@H](C)[N@@H+](Cc1ccnc(C(C)C)n1)C1CCCC1 ZINC000065507693 175745355 /nfs/dbraw/zinc/74/53/55/175745355.db2.gz INZGOMLPLBFFIU-AWEZNQCLSA-N 1 1 275.440 4.143 50 0 CIAAMO c1cc2c(cccc2Cn2cc[nH+]c2C2CCCC2)[nH]1 ZINC000071748537 176259579 /nfs/dbraw/zinc/25/95/79/176259579.db2.gz GDVMQMWTARUMDL-UHFFFAOYSA-N 1 1 265.360 4.070 50 0 CIAAMO CC(C)c1[nH+]ccn1[C@@H](C)Cn1ccc2ccccc21 ZINC000071763504 176261945 /nfs/dbraw/zinc/26/19/45/176261945.db2.gz FZVYXSKCOAOLIR-AWEZNQCLSA-N 1 1 267.376 4.222 50 0 CIAAMO Cc1cccc(CNCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000078725194 177376647 /nfs/dbraw/zinc/37/66/47/177376647.db2.gz HQKDRAXXNDMNRW-KRWDZBQOSA-N 1 1 296.458 4.214 50 0 CIAAMO C(=C/c1ccccc1)\C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000012206381 518370871 /nfs/dbraw/zinc/37/08/71/518370871.db2.gz ABRZVFVJDZJSCD-OEMHODTASA-N 1 1 292.426 4.276 50 0 CIAAMO Cc1cnc([C@@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)s1 ZINC000097017251 534621186 /nfs/dbraw/zinc/62/11/86/534621186.db2.gz MONGOAKTVKBIOR-YGRLFVJLSA-N 1 1 292.835 4.443 50 0 CIAAMO C[N@H+](Cc1cc(-c2cccs2)on1)Cc1ccccc1 ZINC000048375404 523163360 /nfs/dbraw/zinc/16/33/60/523163360.db2.gz RTXQIHQHNOSGRF-UHFFFAOYSA-N 1 1 284.384 4.035 50 0 CIAAMO C[N@@H+](Cc1cc(-c2cccs2)on1)Cc1ccccc1 ZINC000048375404 523163374 /nfs/dbraw/zinc/16/33/74/523163374.db2.gz RTXQIHQHNOSGRF-UHFFFAOYSA-N 1 1 284.384 4.035 50 0 CIAAMO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCOc3ccccc32)o1 ZINC000035043115 566842174 /nfs/dbraw/zinc/84/21/74/566842174.db2.gz ANXQYFCMSDJXAJ-UHOFOFEASA-N 1 1 283.371 4.016 50 0 CIAAMO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCOc3ccccc32)o1 ZINC000035043121 566842192 /nfs/dbraw/zinc/84/21/92/566842192.db2.gz ANXQYFCMSDJXAJ-DAXOMENPSA-N 1 1 283.371 4.016 50 0 CIAAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837473 566921579 /nfs/dbraw/zinc/92/15/79/566921579.db2.gz WHUFDJPJXBPNDI-GOSISDBHSA-N 1 1 285.362 4.171 50 0 CIAAMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000015837300 566921949 /nfs/dbraw/zinc/92/19/49/566921949.db2.gz WERCJBNQDWXNRP-GOSISDBHSA-N 1 1 269.363 4.471 50 0 CIAAMO C[C@H](Cc1nc2ccccc2s1)[N@@H+](C)Cc1ccccc1 ZINC000075105645 566936020 /nfs/dbraw/zinc/93/60/20/566936020.db2.gz SIZCYTNAGWQBCJ-CQSZACIVSA-N 1 1 296.439 4.359 50 0 CIAAMO Clc1cc(C[N@@H+](CC2CCCCC2)C2CC2)ccn1 ZINC000060320329 566954165 /nfs/dbraw/zinc/95/41/65/566954165.db2.gz SDJRHQHZLWMRFZ-UHFFFAOYSA-N 1 1 278.827 4.280 50 0 CIAAMO Fc1ccc([C@@H](CC(F)(F)F)[NH2+]Cc2ccco2)cc1 ZINC000092850464 566971653 /nfs/dbraw/zinc/97/16/53/566971653.db2.gz FPCZGRPZTJKYQG-CYBMUJFWSA-N 1 1 287.256 4.202 50 0 CIAAMO c1sc2c(c1C[N@H+]1CCc3ccccc3C1)CCCC2 ZINC000006895104 567002127 /nfs/dbraw/zinc/00/21/27/567002127.db2.gz QXVFBIDLJKZURQ-UHFFFAOYSA-N 1 1 283.440 4.185 50 0 CIAAMO Cc1[nH+]ccn1CCCS[C@H](C)c1ccccc1F ZINC000089735701 567025969 /nfs/dbraw/zinc/02/59/69/567025969.db2.gz DIZCZTWDFHGLQH-GFCCVEGCSA-N 1 1 278.396 4.215 50 0 CIAAMO CC(=O)Nc1ccccc1C[N@H+](Cc1ccccc1)C(C)C ZINC000089869629 567027345 /nfs/dbraw/zinc/02/73/45/567027345.db2.gz ZCYYCXUOWJGNNV-UHFFFAOYSA-N 1 1 296.414 4.056 50 0 CIAAMO Cc1cccc(-c2cncc(C[N@H+](C)Cc3ccco3)c2)c1 ZINC000037553713 567068358 /nfs/dbraw/zinc/06/83/58/567068358.db2.gz YTPJQEKKEIWIMZ-UHFFFAOYSA-N 1 1 292.382 4.282 50 0 CIAAMO Cc1cccc(-c2cncc(C[N@@H+](C)Cc3ccco3)c2)c1 ZINC000037553713 567068363 /nfs/dbraw/zinc/06/83/63/567068363.db2.gz YTPJQEKKEIWIMZ-UHFFFAOYSA-N 1 1 292.382 4.282 50 0 CIAAMO CCCC[C@@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@]2(C)C1 ZINC000004026472 567073813 /nfs/dbraw/zinc/07/38/13/567073813.db2.gz XFRKOROYPDUFGL-IFXJQAMLSA-N 1 1 282.431 4.451 50 0 CIAAMO Cc1[nH+]ccn1CCCCOc1ccc(Cl)c(Cl)c1 ZINC000095453230 567134179 /nfs/dbraw/zinc/13/41/79/567134179.db2.gz MAWZFIUFFSTIHG-UHFFFAOYSA-N 1 1 299.201 4.358 50 0 CIAAMO C[N@H+]1CCCC[C@H]1C1(c2ccccc2)CCCCC1 ZINC000096027010 567138318 /nfs/dbraw/zinc/13/83/18/567138318.db2.gz KJFNUMVYIPSFHG-KRWDZBQOSA-N 1 1 257.421 4.373 50 0 CIAAMO Cc1[nH]c2ccccc2c1C[N@H+]1CCc2ccccc2C1 ZINC000000240011 567822787 /nfs/dbraw/zinc/82/27/87/567822787.db2.gz WMFJSKHHIFCGEM-UHFFFAOYSA-N 1 1 276.383 4.035 50 0 aggregator CIAAMO CC(C)(C)c1ccc(-c2[nH+]cc3ccccn32)cc1 ZINC000001078060 567836082 /nfs/dbraw/zinc/83/60/82/567836082.db2.gz JEPOKBACZCNASS-UHFFFAOYSA-N 1 1 250.345 4.299 50 0 CIAAMO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000001176725 567836302 /nfs/dbraw/zinc/83/63/02/567836302.db2.gz LVBMKDRLKLAHAO-LJQANCHMSA-N 1 1 293.410 4.057 50 0 CIAAMO Cc1ccc(C(=O)CC[N@H+]2CC[C@H](c3ccccc3)C2)cc1 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CSC1=[NH+]C(C)(C)C=C(C=Cc2cccc(Cl)c2)N1 ZINC000005625247 170121456 /nfs/dbraw/zinc/12/14/56/170121456.db2.gz JGLXWGOQNVBSDW-BQYQJAHWSA-N 1 1 292.835 4.338 50 0 CIAAMO Cc1cc(C)c2[nH]c(C)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008714105 170348612 /nfs/dbraw/zinc/34/86/12/170348612.db2.gz NDIDAJITJGQMNJ-LBPRGKRZSA-N 1 1 298.430 4.098 50 0 CIAAMO Cc1cc(Cl)c(OCC[NH+]2CCCCC2)c(Cl)c1 ZINC000008750306 170354193 /nfs/dbraw/zinc/35/41/93/170354193.db2.gz JFYPPVDOYJAWCZ-UHFFFAOYSA-N 1 1 288.218 4.167 50 0 CIAAMO CC[C@@H](C[N@@H+](C)CCCc1c(C)n[nH]c1C)c1ccccc1 ZINC000020867164 171276869 /nfs/dbraw/zinc/27/68/69/171276869.db2.gz RSQUTSQSFKCDGP-KRWDZBQOSA-N 1 1 299.462 4.085 50 0 CIAAMO COc1cccc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c1 ZINC000040007503 174182331 /nfs/dbraw/zinc/18/23/31/174182331.db2.gz KWJJIAXGSGQSBV-CYBMUJFWSA-N 1 1 273.351 4.027 50 0 CIAAMO Fc1ccc(C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000040005480 174182644 /nfs/dbraw/zinc/18/26/44/174182644.db2.gz AEFVHLLFHCLMLD-UHFFFAOYSA-N 1 1 261.365 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C[C@@H](CC[N@H+](C)Cc1cc(C2CC2)on1)c1ccccc1 ZINC000097766749 567911240 /nfs/dbraw/zinc/91/12/40/567911240.db2.gz BBNYPOYWEZLIDH-AWEZNQCLSA-N 1 1 284.403 4.178 50 0 CIAAMO C[C@@H](CC[N@@H+](C)Cc1cc(C2CC2)on1)c1ccccc1 ZINC000097766749 567911241 /nfs/dbraw/zinc/91/12/41/567911241.db2.gz BBNYPOYWEZLIDH-AWEZNQCLSA-N 1 1 284.403 4.178 50 0 CIAAMO Cc1ccc(SCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000014084399 567915327 /nfs/dbraw/zinc/91/53/27/567915327.db2.gz RUEBVRULKPKODW-UHFFFAOYSA-N 1 1 283.440 4.145 50 0 CIAAMO C[N@H+]1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000023340202 567922880 /nfs/dbraw/zinc/92/28/80/567922880.db2.gz SVMNNWFUNGOBET-MRXNPFEDSA-N 1 1 295.382 4.003 50 0 CIAAMO Clc1ccc2c(NCCCOCC3CC3)cc[nH+]c2c1 ZINC000061174453 567927843 /nfs/dbraw/zinc/92/78/43/567927843.db2.gz CRJDOACPVPCLPN-UHFFFAOYSA-N 1 1 290.794 4.117 50 0 CIAAMO CC[C@@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCC[N@@H+]2C1 ZINC000000488922 567939587 /nfs/dbraw/zinc/93/95/87/567939587.db2.gz VWIGIUHQLACFJB-KUHUBIRLSA-N 1 1 282.431 4.451 50 0 CIAAMO CCC[N@@H+]1CCn2c3ccc(Cl)cc3c3c2[C@H]1CCC3 ZINC000000517462 567941940 /nfs/dbraw/zinc/94/19/40/567941940.db2.gz DESAPYFZNNGTSP-MRXNPFEDSA-N 1 1 288.822 4.398 50 0 CIAAMO CCC[N@H+]1CCn2c3ccc(Cl)cc3c3c2[C@H]1CCC3 ZINC000000517462 567941941 /nfs/dbraw/zinc/94/19/41/567941941.db2.gz DESAPYFZNNGTSP-MRXNPFEDSA-N 1 1 288.822 4.398 50 0 CIAAMO Cc1ccsc1C[N@H+](Cc1ccoc1)CC(C)C ZINC000055090745 570240235 /nfs/dbraw/zinc/24/02/35/570240235.db2.gz PZPJEHVNZOINFL-UHFFFAOYSA-N 1 1 263.406 4.308 50 0 CIAAMO CC(C)CC[C@H](c1ccccc1)[N@H+](C)Cc1ncc[nH]1 ZINC000055309149 570242454 /nfs/dbraw/zinc/24/24/54/570242454.db2.gz BLUSQWJOYYTOON-MRXNPFEDSA-N 1 1 271.408 4.019 50 0 CIAAMO CC(C)CC[C@H](c1ccccc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000055309149 570242457 /nfs/dbraw/zinc/24/24/57/570242457.db2.gz BLUSQWJOYYTOON-MRXNPFEDSA-N 1 1 271.408 4.019 50 0 CIAAMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2oc3ccccc3c2C)no1 ZINC000215434476 570302990 /nfs/dbraw/zinc/30/29/90/570302990.db2.gz NDVYQCYQEPDUJQ-INIZCTEOSA-N 1 1 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